The right vectors \(\mathbf {R}_{\mathrm {x},i}^{\mathrm {CMO}}\)  can then be employed to transform the molecular CMOs[1]}
\(\bar{\psi }_{\mathrm {x},i}^{\mathrm {CMO}}=\sum _{j\in \mathrm {x}}^{N_{\mathrm {x}}}\psi _{\mathrm {x},j}^{\mathrm {CMO}} R_{\mathrm {x},ji}^{\mathrm {CMO}}, \quad \mathrm {x}=\mathrm {a}, \mathrm {c}, \mathrm {v}; \quad i\in [1, N_{\mathrm {x}}].\) 
